MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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O-hexanoyl-(R)-carnitine

	Properties	Image
MNX_ID	MNXM56437
reference	chebi:84834
formula	C₁₃H₂₅NO₄
global charge	0
mol weight	259.346
InChIKey	VVPRQWTYSNDTEA-LLVKDONJSA-N
InChI	InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
SMILES	CCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

MNX internals

InChI (mnx)	InChI=1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
SMILES (mnx)	[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][C:13](=[O:17])[O:18][C@H:11]([CH2:9][C:12](=[O:15])[O-:16])[CH2:10][N+:14]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84834 chebi:84834 VVPRQWTYSNDTEA-LLVKDONJSA-N	O-hexanoyl-(R)-carnitine (3R)-3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate (R)-Caproylcarnitine (R)-hexanoylcarnitine L-Hexanoylcarnitine O-hexanoyl-L-carnitine hexanoyl-L-carnitine
bigg.metabolite:c6crn biggM:c6crn VVPRQWTYSNDTEA-UHFFFAOYSA-N	Hexanoyl Carnitine
hmdb:HMDB0000756 VVPRQWTYSNDTEA-LLVKDONJSA-N	Hexanoylcarnitine (3R)-3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate (R)-3-Carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-1-propanaminium inner salt (R)-Caproylcarnitine (R)-Hexanoylcarnitine C6 Carnitine Hexanoate Hexanoic acid Hexanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt Hexanoyl-L-carnitine L-Carnitine hexanoyl ester L-Hexanoate L-Hexanoic acid L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt L-Hexanoylcarnitine L-carnitine hexanoyl ester O-Hexanoyl-(R)-carnitine
lipidmaps:LMFA07070070 lipidmapsM:LMFA07070070 VVPRQWTYSNDTEA-UHFFFAOYSA-N	Hexanoylcarnitine 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate CAR 6:0
sabiork.compound:18845 sabiorkM:18845 VVPRQWTYSNDTEA-UHFFFAOYSA-N	O-Hexanoylcarnitine
SLM:000390083 slm:000390083 VVPRQWTYSNDTEA-LLVKDONJSA-N	O-hexanoyl-(R)-carnitine
metacyc.compound:CPD-19739 metacycM:CPD-19739 seed.compound:cpd35164 seedM:cpd35164 VVPRQWTYSNDTEA-LLVKDONJSA-N	O-hexanoyl-L-carnitine
lipidmaps:LMFA07070001 lipidmapsM:LMFA07070001 VVPRQWTYSNDTEA-LLVKDONJSA-N	O-hexanoyl-R-carnitine CAR 6:0 O-hexanoyl-R-carnitine
CHEBI:70749 chebi:70749 VVPRQWTYSNDTEA-UHFFFAOYSA-N	O-hexanoylcarnitine 3-(hexanoyloxy)-4-(trimethylammonio)butanoate 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate hexanoylcarnitine
vmhM:c6crn vmhmetabolite:c6crn VVPRQWTYSNDTEA-UHFFFAOYSA-N	hexanoyl carnitine (3R)-3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate
CHEBI:192246 chebi:192246 VVPRQWTYSNDTEA-LLVKDONJSA-N	hexanoyl-L-carnitine-d3
hmdb:HMDB0000705 hmdb:HMDB00705 hmdb:HMDB00756 biggM:M_c6crn seedM:M_cpd35164 vmhM:M_c6crn	secondary/obsolete/fantasy identifier